3-heptyl-5-[4-(4-octylphenyl)phenyl]oxolan-2-one

Systemtic Name: 3-heptyl-5-[4-(4-octylphenyl)phenyl]oxolan-2-one Openeye Name: 3-heptyl-5-[4-(4-octylphenyl)phenyl]tetrahydrofuran-2-one CAS Name: 3-heptyl-5-[4-(4-octylphenyl)phenyl]-2-oxolanone IUPAC Name: 3-heptyl-5-[4-(4-octylphenyl)phenyl]oxolan-2-one Traditional Name: 3-heptyl-5-[4-(4-octylphenyl)phenyl]tetrahydrofuran-2-one Formula: C31H44O2 MolecularWeight: 448.67986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(C(=O)O3)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(C(=O)O3)CCCCCCC

InChI

InChI=1S/C31H44O2/c1-3-5-7-9-11-12-14-25-16-18-26(19-17-25)27-20-22-28(23-21-27)30-24-29(31(32)33-30)15-13-10-8-6-4-2/h16-23,29-30H,3-15,24H2,1-2H3